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Author SHA1 Message Date
Harry Moffat
be6c44da59 Doxygen update 
Documented the getSpeciesFluxes interface
  Changed a doublereal * grad_T parameter to const doublereal * grad_T
parameter.
 2007-07-27 00:09:11 +00:00
Harry Moffat
449e133e02 Took out using namespace std from a couple of .h files. 2007-07-26 21:55:32 +00:00
Harry Moffat
a82de03550 During an out-of-the-box preconfig run, the user will unwillingly ask for 
a FULL python installation, but will inevitably fail because neither the numarray
or numeric package has been installed.
Now, a check is made during the raw preconfig run to see if the include
files for the numarray package can be found. If they can't be found and the
python installation option is set to default, then the python build variable
is set to 1, reducing python to a minimal installation.

In most cases, the raw out-of-the-box
  preconfig
  make
  make test

steps will now work. Whereas before, there were compile errors occurring because
the numarray include files were not able to be found.

More information about the SUNDIALS installation is now printed out.

CVS
 2007-07-24 17:37:05 +00:00
Harry Moffat
f7cc4b6075 Changed the default SUNDIALS_HOME setting to blank. 
This coincides with what is assumed in the configure.in file, and
avoids potential problems with spaces in $HOME that frequently
appear on cygwin installations.
 2007-07-24 17:29:50 +00:00
Harry Moffat
4afa86fb3e Fixed path to elements.xml 2007-07-24 17:24:57 +00:00
Harry Moffat
c0a3088260 Fixed the path to the default location of elements.xml 2007-07-24 17:20:42 +00:00
Harry Moffat
81af5d3a3a Fixed an error in the function setMoleFractions_NoNorm(). 
The error was introduced in v. 1.2 of this file on 5/4/07,
and lead to bad values for output mass fractions.
 2007-07-18 21:27:52 +00:00
Harry Moffat
b3e656063c Rebaselined two files, due to textual changes in the output 2007-07-18 20:21:41 +00:00
Harry Moffat
67d7e3f290 Cropping Update 
-Did a better job at coming up with cropping strategy for molalalities
   which are used for the calculation of the activity coefficents.
   Without such a strategy, act coeffs may become unbounded and
   cause the equilibrium solver to fail.
 2007-07-18 19:27:51 +00:00
Harry Moffat
80a0f4abd3 Changed the default INSTALL program from whatever autoconf found using 
the macro AC_PROG_INSTALL to the program config/install-sh, which was
the backup option for AC_PROG_INSTALL anyway.

The driving reason for this was that the default /usr/bin/install
program on linux had problems when directories under $(CANTERA_ROOT)/build
weren't owned by installing user. Note, this can happen in a
collaborative environment when multiple people have group rw
on the source/build directory.

However, in general, this should help cross-platform variability
issues, since there is less variability now.

The user can override config/install-sh choice by setting the
environmental variable INSTALL_BIN in the preconfig script.
 2007-07-13 17:23:55 +00:00
Harry Moffat
85d0d72fc9 Fixed compilation errors on solaris. 
Solaris picks up const and non-const differences between parent and
child member functions.
 2007-07-13 17:15:19 +00:00
Harry Moffat
7dc1e89be3 Fixed a compile problem that occurred on solaris 2007-07-13 16:52:18 +00:00
Harry Moffat
1b4538dd25 Fixed compilation problems on solaris 2007-07-13 15:55:45 +00:00
Harry Moffat
2aa3f68ab9 Fixed an install command, so that it only does one file at a time. 2007-07-13 15:19:33 +00:00
Harry Moffat
a78510bbc0 Added a -c to the install command. This is needed for the built-in 
install command.
 2007-07-13 14:53:51 +00:00
Harry Moffat
1fa96d7baa Added a file to clean rule that frequently gets created and not destroyed 2007-07-12 19:52:39 +00:00
Harry Moffat
b3a24249b2 Added an all: rule. 2007-07-12 19:44:46 +00:00
Harry Moffat
a67ecf146b added -c to the install line, so that the default install-sh will do 
a "cp" instead of a "mv".
 2007-07-12 19:40:29 +00:00
Harry Moffat
a761c52e9a Eliminated a commented out line. 2007-07-12 19:37:37 +00:00
Harry Moffat
9e894b0f69 doxygen update 
added brackets to a module.
 2007-07-12 19:36:13 +00:00
Harry Moffat
2f017f847b Added a rm *.d to the clean rule. 2007-07-12 19:34:41 +00:00
Harry Moffat
9b2d89619b Added -c to the install line, so that the default install-sh will 
do a "cp" operation and not a "mv" operation.
 2007-07-12 19:33:45 +00:00
Harry Moffat
fc1693f252 Added a rm .depends to the clean rule. 2007-07-12 19:28:05 +00:00
Harry Moffat
4f47a3457a Added a -c argument to @INSTALL@, so that the default config/install-sh 
will do a "cp" instead of a "mv".
 2007-07-12 19:26:15 +00:00
Harry Moffat
28a2e63c05 Compilation error in an optional #ifdef block. 2007-07-12 14:22:41 +00:00
Harry Moffat
1e83047821 Added a -c to the install command. Note, it probably doesn't matter 
unless you are using the config/install-sh version, in which case,
the change alters the command from a 'mv' to a 'cp' command.
 2007-07-12 01:04:13 +00:00
Harry Moffat
bdbe4b2d41 Added -c command to the @INSTALL@. It doesn't matter unless the 
install command is config/install-sh. For the later, it
changes mv to a cp command.
 2007-07-12 00:58:39 +00:00
Dave Goodwin
0bff9dcef0 added flags 2007-07-03 11:42:22 +00:00
Dave Goodwin
aad8e77789 added missing methods to MetalPhase, made 2 methods of SurfPhase virtual 2007-07-03 11:38:13 +00:00
Harry Moffat
6e3cbb5d7a Fixed an error in runtest 2007-07-02 20:54:02 +00:00
Harry Moffat
d7fb2d6ffa Doxygen update. 
completed HMWSoln header information.
 2007-06-26 22:28:53 +00:00
Harry Moffat
edd8584dda Doxygen update 
-> fixing documentation for functions.
 2007-06-26 17:43:12 +00:00
Harry Moffat
7e693cdf81 Doxygen Update 
Worked on the header.
Change of LambdaNeutral XML input section
  changed the attributes to species1 and species2 to be more in tune
  with the conventions in the rest of the input file. I don't think
  this section is used anywhere yet
 2007-06-26 17:03:18 +00:00
Harry Moffat
7f971b52d3 Doxygen update 
-worked on the header
 2007-06-21 14:58:03 +00:00
Harry Moffat
824dc7f6de Doxygen update 
- worked on the header.
 2007-06-20 21:42:24 +00:00
Harry Moffat
d672421cf3 Doxygen Update 
-> Worked on the header, trying to document the format of the
     XML input file.
 2007-06-19 14:54:51 +00:00
Harry Moffat
962bc69253 Added HMWSoln. It's sufficiently far along. 2007-06-18 16:13:28 +00:00
Harry Moffat
c12e390f02 Doxygen Update 
-> Worked on the header
 2007-06-18 16:12:41 +00:00
Harry Moffat
faa637d25a Doxygen update - 
Update of Header files
 2007-06-17 20:56:46 +00:00
Harry Moffat
a76f99bbbc Fixed a divide by zero in the function checkRxnElementBalance() 2007-06-15 23:08:57 +00:00
Harry Moffat
d80ff022a4 Doxygen Update 
-> added more formulas to the header
 2007-06-15 16:38:51 +00:00
Harry Moffat
fa0cc67986 Doxygen Update 
Worked on the class header information.
 2007-06-14 23:40:49 +00:00
Harry Moffat
56155a1d27 Doxygen update 
-> Eliminated all of the doxygen warnings. However, there is a long
     way to go in documenting the HMWSoln header file.
 2007-06-14 15:05:49 +00:00
Harry Moffat
29c71152f9 Doxygen update 
-> added more member data documentation to HMWSoln
Added DebyeHuckel and IdealMolalSoln to the ThermoFactory
 2007-06-13 18:53:37 +00:00
Harry Moffat
63dd45cc6a Doxygen update 
- documented some member data
Changed names to make it more readable.
 2007-06-13 14:36:52 +00:00
Harry Moffat
f56c1b7c81 Made minTemp() and maxTemp() const functions, to make the 
paradigm consistent.
 2007-06-13 00:17:13 +00:00
Harry Moffat
cb1dc5917c Made several routines const that should be const 
getUnitStandardConc
 and in Phase::nDim and getMolecularWeight()
 2007-06-13 00:08:35 +00:00
Harry Moffat
badc82daf3 Doxygen update 
Added function documentation.
Added error checking on input
 2007-06-12 19:39:50 +00:00
Harry Moffat
235ff2acb5 Turned the virtual function,getParameters(), to getParameters() const 2007-06-12 19:14:06 +00:00
Harry Moffat
8079087eb4 Roughed in a new function, solvePseudoSteadyStateProblem() 2007-06-12 17:35:05 +00:00